# generated using pymatgen
data_Li3Ta12O31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.90017700
_cell_length_b   9.05741400
_cell_length_c   17.08306930
_cell_angle_alpha   89.56901322
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Ta12O31
_chemical_formula_sum   'Li3 Ta12 O31'
_cell_volume   603.45119517
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.50000000  0.95685100  0.38212500  1
  Li  Li1  1  0.50000000  0.04238900  0.62252400  1
  Li  Li2  1  0.50000000  0.95230100  0.11483500  1
  Ta  Ta3  1  0.00000000  0.59636100  0.36778400  1
  Ta  Ta4  1  0.00000000  0.39471400  0.63197400  1
  Ta  Ta5  1  0.00000000  0.60134500  0.13036000  1
  Ta  Ta6  1  0.00000000  0.40696500  0.86678900  1
  Ta  Ta7  1  0.00000000  0.94299300  0.25012700  1
  Ta  Ta8  1  0.00000000  0.05496700  0.75488500  1
  Ta  Ta9  1  0.00000000  0.19107200  0.44281800  1
  Ta  Ta10  1  0.00000000  0.80402700  0.55820100  1
  Ta  Ta11  1  0.00000000  0.19531800  0.05910800  1
  Ta  Ta12  1  0.00000000  0.81927500  0.94384400  1
  Ta  Ta13  1  0.00000000  0.30888100  0.25004100  1
  Ta  Ta14  1  0.00000000  0.69474900  0.74824700  1
  O  O15  1  0.00000000  0.53706900  0.24994200  1
  O  O16  1  0.00000000  0.45952000  0.75226000  1
  O  O17  1  0.00000000  0.66467300  0.47678500  1
  O  O18  1  0.00000000  0.33368600  0.52273500  1
  O  O19  1  0.00000000  0.66988200  0.02314700  1
  O  O20  1  0.00000000  0.33958700  0.97292400  1
  O  O21  1  0.00000000  0.11519000  0.32573900  1
  O  O22  1  0.00000000  0.88168300  0.67491900  1
  O  O23  1  0.00000000  0.11756000  0.17291800  1
  O  O24  1  0.00000000  0.87880400  0.82508300  1
  O  O25  1  0.50000000  0.16195100  0.43536900  1
  O  O26  1  0.50000000  0.83825500  0.56404000  1
  O  O27  1  0.50000000  0.17096000  0.06157900  1
  O  O28  1  0.50000000  0.82788500  0.93704900  1
  O  O29  1  0.00000000  0.37318400  0.36770000  1
  O  O30  1  0.00000000  0.62425500  0.63261700  1
  O  O31  1  0.00000000  0.37601500  0.13060900  1
  O  O32  1  0.00000000  0.61968800  0.87002300  1
  O  O33  1  0.00000000  0.99919400  0.49949800  1
  O  O34  1  0.00000000  0.99566800  0.00973800  1
  O  O35  1  0.00000000  0.80987000  0.33797100  1
  O  O36  1  0.00000000  0.18753000  0.66203200  1
  O  O37  1  0.00000000  0.81140900  0.16215600  1
  O  O38  1  0.00000000  0.20565000  0.83294200  1
  O  O39  1  0.50000000  0.29604900  0.24889300  1
  O  O40  1  0.50000000  0.69305600  0.75190400  1
  O  O41  1  0.50000000  0.94626100  0.24907300  1
  O  O42  1  0.50000000  0.05546800  0.74342900  1
  O  O43  1  0.50000000  0.59469600  0.37016300  1
  O  O44  1  0.50000000  0.40625800  0.63254700  1
  O  O45  1  0.50000000  0.59583600  0.13055400  1
